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Compound Detail

CHEMBL4098447

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Cn1cc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4098447
Phase Preclinical
Structure Type MOL
InChI Key XNRRBPGMIAMEFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.86
ALogP
6
HBA
1
HBD
71.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N6O
MW 360.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.06

Literature References

PubMed DOI Target Context # Activities
28245354 10.1021/acs.jmedchem.7b00045 ADMET 5
28245354 10.1021/acs.jmedchem.7b00045 Leucine-rich repeat serine/threonine-protein kinase 2 1

Data from ChEMBL 36 via Core Engine